SCHEMBL7809648

SCHEMBL7809648

OC1c2ccc(-c3nnn[nH]3)cc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
ALOX5AP P20292 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7813459 0.91 LTB4R (0.46) LTB4RCYSLTR1CYSLTR2
SCHEMBL7801990 0.87 CYSLTR1 (0.35) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7809599 0.85 LTB4R (0.38) LTB4RCYSLTR1CYSLTR2
SCHEMBL7809712 0.83 PDE10A (0.39) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7809746 0.83 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7809612 0.83 ALOX5AP (0.43) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7806673 0.82 LTB4R (0.47) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7801575 0.80 LTB4R (0.40) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7810728 0.78 LTB4R (0.42) LTB4RCYSLTR1CYSLTR2ALOX5AP
SCHEMBL7806801 0.78 CYSLTR1 (0.42) LTB4RCYSLTR1CYSLTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed